Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.54 |
| ▸ | TAS1R2 | Q8TE23 | 5/20 | 0.54 |
| ▸ | ACHE | P22303 | 6/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SPTLC2 | O15270 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL878339 | 1.00 | ALDH1A1 (0.56) | ALDH1A1TAS1R3TAS1R1TAS1R2ACHE | |
| SCHEMBL878469 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TAS1R3TAS1R1TAS1R2ACHE | |
| SCHEMBL875980 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TAS1R3TAS1R1TAS1R2ACHE | |
| SCHEMBL484334 | 0.83 | ALDH1A1 (0.58) | ALDH1A1TAS1R3TAS1R1TAS1R2MEN1 | |
| SCHEMBL784965 | 0.83 | ALDH1A1 (0.58) | ALDH1A1TAS1R3TAS1R1TAS1R2MEN1 | |
| SCHEMBL803549 | 0.83 | ALDH1A1 (0.58) | ALDH1A1TAS1R3TAS1R1TAS1R2MEN1 | |
| SCHEMBL13131614 | 0.80 | TAS1R3 (0.55) | ALDH1A1TAS1R3TAS1R1TAS1R2PDE10A | |
| SCHEMBL6361268 | 0.79 | ALDH1A1 (0.85) | ALDH1A1TAS1R3TAS1R1TAS1R2MEN1 | |
| SCHEMBL785249 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A | |
| SCHEMBL484760 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TAS1R3TAS1R1TAS1R2KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |